5-[(4-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-[(4-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
• CAS No.: 532939-36-9
• Molecular Formula: C19H19ClN2O4S
• Molecular Weight: 406.88
• DSSTox Substance ID: DTXSID10365394
• Wikidata: Q82150032
• Mol file: 532939-36-9.mol

Synonyms:5-[(4-butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid;532939-36-9;DTXSID10365394;STK030394;AKOS000109170;5-({[(4-butoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid;5-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid

Chemical Property of 5-[(4-Butoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 5.13920
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 406.0754060
• Heavy Atom Count: 27
• Complexity: 526

Purity/Quality:

5-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O